5-Amino-3-phenyl-3,4-dihydro-2H-pyrrole-4-carboxylic acid
Basic information
- CAS
67159-70-0- Standard SMILES
NC1=NCC(c2ccccc2)C1C(=O)O- InChIKey
KULHWFWYIALEOM-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2
- Average molar mass
- 204.22 g/mol
- Monoisotopic mass
- 204.08987763
Names & identifiers
- Preferred name
- 5-Amino-3-phenyl-3,4-dihydro-2H-pyrrole-4-carboxylic acid
- IUPAC
- 5-amino-3-phenyl-3,4-dihydro-2H-pyrrole-4-carboxylic acid
- English name
- 2H-Pyrrole-4-carboxylicacid,5-amino-3,4-dihydro-3-phenyl-(9CI)
- Molecular formula
- C11H12N2O2
- Molecular weight
- 204.23
Names & synonyms
67159-70-05-Amino-3-phenyl-3,4-dihydro-2H-pyrrole-4-carboxylic acidDB-2705032H-Pyrrole-4-carboxylic acid, 5-amino-3,4-dihydro-3-phenyl-2H-Pyrrole-4-carboxylicacid,5-amino-3,4-dihydro-3-phenyl-(9CI)
Database identifiers
- CAS
67159-70-0- PubChem CID
- 12410659
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 75.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 282
Physicochemical properties
- Boiling point
- 440.2 · 440.2±55.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 2.83 · 2.83±0.40(Predicted)
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Compound notes
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